2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide

C22H26N8O — CID 155910925

IUPAC2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide
SMILESNC(=O)CNc1nc(-c2cccnc2)nc2c1CCC21CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C22H26N8O/c23-18(31)11-26-21-17-4-6-22(5-2-8-30(13-22)12-16-10-25-14-27-16)19(17)28-20(29-21)15-3-1-7-24-9-15/h1,3,7,9-10,14H,2,4-6,8,11-13H2,(H2,23,31)(H,25,27)(H,26,28,29)
InChIKeyMCJWCGCKXXATNE-UHFFFAOYSA-N
MW418.51 g/mol
LogP1.64
Rot. Bonds6

About 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide

2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide (PubChem CID 155910925) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide
PubChem CID155910925
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide
SMILESNC(=O)CNc1nc(-c2cccnc2)nc2c1CCC21CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C22H26N8O/c23-18(31)11-26-21-17-4-6-22(5-2-8-30(13-22)12-16-10-25-14-27-16)19(17)28-20(29-21)15-3-1-7-24-9-15/h1,3,7,9-10,14H,2,4-6,8,11-13H2,(H2,23,31)(H,25,27)(H,26,28,29)
InChIKeyMCJWCGCKXXATNE-UHFFFAOYSA-N
XLogP1.64
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide with MolForge

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Related Compounds

2-[[1'-(3-methylbut-2-enyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]ethanol
CID 154822123
1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
CID 155911308
1-[4-[(3-methyloxetan-3-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 155912828
1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 156584249
2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
CID 155912435
1'-(1H-imidazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155499288
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
CID 155913178
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
(3R)-1-(1H-imidazol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97123144
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554

Frequently Asked Questions

What is the IUPAC name of 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide?
The IUPAC name of 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide (CID 155910925) is 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide?
The canonical SMILES for 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide is NC(=O)CNc1nc(-c2cccnc2)nc2c1CCC21CCCN(Cc2cnc[nH]2)C1.
What is the InChIKey of 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide?
The InChIKey is MCJWCGCKXXATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c23-18(31)11-26-21-17-4-6-22(5-2-8-30(13-22)12-16-10-25-14-27-16)19(17)28-20(29-21)15-3-1-7-24-9-15/h1,3,7,9-10,14H,2,4-6,8,11-13H2,(H2,23,31)(H,25,27)(H,26,28,29).
What are the key properties of 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide?
2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide has a molecular weight of 418.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide is sourced from PubChem (CID 155910925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).